N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-[(2-methylsulfonylphenyl)methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-[(2-methylsulfonylphenyl)methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-(2-mesylbenzyl)-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCCC(C2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCCC(C2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O3S/c1-30(28,29)22-11-5-4-9-20(22)15-25-13-6-10-21(17-25)24-23(27)26-14-12-18-7-2-3-8-19(18)16-26/h2-5,7-9,11,21H,6,10,12-17H2,1H3,(H,24,27)